SCHEMBL6991603

SCHEMBL6991603

O=C(NC(Nc1c(Nc2cccnc2)c(=O)c1=O)C(F)(F)C(F)(F)F)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CSF1R P07333 2/20 0.45
ABCC9 O60706 3/20 0.44
ABCC8 Q09428 3/20 0.44
KCNJ11 Q14654 3/20 0.44
KCNJ8 Q15842 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
BRAF P15056 1/20 0.43
GRM5 P41594 3/20 0.43
MAPKAPK2 P49137 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6984652 0.89 ABCC9 (0.51) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL6988592 0.89 KCNJ11 (0.54) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL6983717 0.83 MAPKAPK2 (0.46) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL6988565 0.83 ABCC9 (0.44) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL6990454 0.81 ABCC9 (0.52) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL6984659 0.81 ABCC9 (0.47) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL7545207 0.81 ABCC9 (0.43) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL6989026 0.79 ABCC9 (0.49) MEN1KMT2ACSF1RABCC9ABCC8
SCHEMBL4367789 0.79 GRM5 (0.45) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL6985809 0.78 ALDH1A1 (0.47) MEN1KMT2AABCC9ABCC8KCNJ11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US claimed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MEN1 773/4885KMT2A 1875/4885CSF1R 3664/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 MEN1 773/4885KMT2A 1875/4885CSF1R 3664/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.